CID 3087827

1-naphthaleneacetamide, n-(2,3-dihydro-2-(1-pyrrolidinyl)-1h-inden-1-yl)-n-methyl-, monohydrochloride, trans-(+-)-

Structural Information

Molecular Formula
C26H28N2O
SMILES
CN([C@H]1[C@@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H28N2O/c1-27(25(29)18-21-12-8-11-19-9-2-4-13-22(19)21)26-23-14-5-3-10-20(23)17-24(26)28-15-6-7-16-28/h2-5,8-14,24,26H,6-7,15-18H2,1H3/t24-,26-/m1/s1
InChIKey
AMLSUKGCRSSFBJ-AOYPEHQESA-N
Compound name
N-methyl-2-naphthalen-1-yl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.227426 195.4
[M+Na]+ 407.209368 199.0
[M-H]- 383.212874 205.9
[M+NH4]+ 402.253973 210.6
[M+K]+ 423.183308 193.2
[M+H-H2O]+ 367.217410 185.6
[M+HCOO]- 429.218351 213.2
[M+CH3COO]- 443.234001 204.3
[M+Na-2H]- 405.194816 192.6
[M]+ 384.21960142 192.8
[M]- 384.22069858 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe